SCHEMBL1160029

SCHEMBL1160029

Cc1nc2ccc(C(=O)NS(=O)(=O)c3ccccc3)cc2n1Cc1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
PPARG P37231 8/20 0.49
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 1/20 0.42
ACSS2 Q9NR19 3/20 0.42
AGTR1 P30556 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1160116 0.85 PPARG (0.59) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1160408 0.85 HDAC1 (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1160394 0.84 PPARG (0.70) HDAC1HDAC6HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL6171221 0.83 PPARG (0.69) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1160030 0.83 HDAC3 (0.48) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL6301163 0.82 PPARG (0.56) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1160341 0.81 HDAC1 (0.55) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1160061 0.81 PPARG (0.47) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL6169486 0.80 HDAC1 (0.54) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL1160361 0.80 PPARG (0.57) HDAC1HDAC6HDAC8HDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2014-01-23 US claimed
EP-2459192-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA Aestus Therapeutics, Inc. (US) 2012-06-06 EP claimed
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO claimed
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US claimed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP claimed
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2014-01-23 US disclosed
US-8563589-B2 Methods of treating neuropathic pain with benzimidazole derivative agonists of PPARgamma SAMEEVE CORP 2013-10-22 US disclosed
EP-2459192-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA Aestus Therapeutics, Inc. (US) 2012-06-06 EP disclosed
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO disclosed
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 HDAC1 222/4885HDAC6 690/4885HDAC8 183/4885
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD HDAC1 368/4885HDAC6 313/4885HDAC8 339/4885
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD HDAC1 368/4885HDAC6 313/4885HDAC8 339/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.